4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol

C18H11F3N2O — CID 59493077

IUPAC4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cccc21
InChIInChI=1S/C18H11F3N2O/c19-18(20,21)17(24)14-6-2-1-4-13(14)16-12(5-3-7-15(16)17)11-8-22-10-23-9-11/h1-10,24H
InChIKeyZNLJDCWSBWFFTI-UHFFFAOYSA-N
MW328.29 g/mol
LogP3.92
Rot. Bonds1

About 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol

4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol (PubChem CID 59493077) has the molecular formula C18H11F3N2O and a molecular weight of 328.29 g/mol. Its IUPAC name is 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol.

Molecular Properties

Compound Name4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol
PubChem CID59493077
Molecular FormulaC18H11F3N2O
Molecular Weight328.29 g/mol
Exact Mass328.08
IUPAC Name4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol
SMILESOC1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cccc21
InChIInChI=1S/C18H11F3N2O/c19-18(20,21)17(24)14-6-2-1-4-13(14)16-12(5-3-7-15(16)17)11-8-22-10-23-9-11/h1-10,24H
InChIKeyZNLJDCWSBWFFTI-UHFFFAOYSA-N
XLogP3.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol?
The IUPAC name of 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol (CID 59493077) is 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol.
What is the SMILES notation for 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol?
The canonical SMILES for 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol is OC1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cccc21.
What is the InChIKey of 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol?
The InChIKey is ZNLJDCWSBWFFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O/c19-18(20,21)17(24)14-6-2-1-4-13(14)16-12(5-3-7-15(16)17)11-8-22-10-23-9-11/h1-10,24H.
What are the key properties of 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol?
4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol has a molecular weight of 328.29 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-5-yl-9-(trifluoromethyl)fluoren-9-ol is sourced from PubChem (CID 59493077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).